Vincoline
AlkaPlorer ID: AK044849
Synonym: '20-Epimelobaline'
IUPAC Name: methyl (1R,9S,10S,12S,13R,20S)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2,4,6,14-tetraene-10-carboxylate
Structure
SMILES: COC(=O)[C@]12C[C@]3(C=CCN4CC[C@@]5(C6=CC=CC=C6N[C@@]15O)[C@@H]43)[C@H](C)O2
InChI: InChI=1S/C21H24N2O4/c1-13-18-8-5-10-23-11-9-19(16(18)23)14-6-3-4-7-15(14)22-21(19,25)20(12-18,27-13)17(24)26-2/h3-8,13,16,22,25H,9-12H2,1-2H3/t13-,16-,18+,19+,20+,21-/m0/s1
InChIKey: YOQNZWXFGROKGY-REBKPJRLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus fusiformis | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.4330000000001
TPSA？: 71.03
MolLogP？: 1.4031999999999996
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|